Summary

IMPPAT Phytochemical identifier: IMPHY012348

Phytochemical name: 2-Methylnonadecane

Synonymous chemical names:
2-methyl-nonadecane

External chemical identifiers:
CID:137081, ZINC:ZINC000103600918, FDASRS:AR294KAG3T, SureChEMBL:SCHEMBL453230

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(C)C

InChI:
InChI=1S/C20H42/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h20H,4-19H2,1-3H3

InChIKey:
LEEDMQGKBNGPDN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCC)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Alkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.333

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Chemical structure download